tert-butyl N-benzyl-N-[4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutyl]carbamate

C22H39NO4Si — CID 11682975

IUPACtert-butyl N-benzyl-N-[4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCC(O)CO[Si](C)(C)C(C)(C)C)Cc1ccccc1
InChIInChI=1S/C22H39NO4Si/c1-21(2,3)27-20(25)23(16-18-12-10-9-11-13-18)15-14-19(24)17-26-28(7,8)22(4,5)6/h9-13,19,24H,14-17H2,1-8H3
InChIKeyJDDHLRUHQUWLHK-UHFFFAOYSA-N
MW409.64 g/mol
LogP5.20
Rot. Bonds8

About tert-butyl N-benzyl-N-[4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutyl]carbamate

tert-butyl N-benzyl-N-[4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutyl]carbamate (PubChem CID 11682975) has the molecular formula C22H39NO4Si and a molecular weight of 409.64 g/mol. Its IUPAC name is tert-butyl N-benzyl-N-[4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-benzyl-N-[4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutyl]carbamate
PubChem CID11682975
Molecular FormulaC22H39NO4Si
Molecular Weight409.64 g/mol
Exact Mass409.26
IUPAC Nametert-butyl N-benzyl-N-[4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCC(O)CO[Si](C)(C)C(C)(C)C)Cc1ccccc1
InChIInChI=1S/C22H39NO4Si/c1-21(2,3)27-20(25)23(16-18-12-10-9-11-13-18)15-14-19(24)17-26-28(7,8)22(4,5)6/h9-13,19,24H,14-17H2,1-8H3
InChIKeyJDDHLRUHQUWLHK-UHFFFAOYSA-N
XLogP5.20
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.64
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-benzyl-N-[4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutyl]carbamate?
The IUPAC name of tert-butyl N-benzyl-N-[4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutyl]carbamate (CID 11682975) is tert-butyl N-benzyl-N-[4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutyl]carbamate.
What is the SMILES notation for tert-butyl N-benzyl-N-[4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutyl]carbamate?
The canonical SMILES for tert-butyl N-benzyl-N-[4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutyl]carbamate is CC(C)(C)OC(=O)N(CCC(O)CO[Si](C)(C)C(C)(C)C)Cc1ccccc1.
What is the InChIKey of tert-butyl N-benzyl-N-[4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutyl]carbamate?
The InChIKey is JDDHLRUHQUWLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39NO4Si/c1-21(2,3)27-20(25)23(16-18-12-10-9-11-13-18)15-14-19(24)17-26-28(7,8)22(4,5)6/h9-13,19,24H,14-17H2,1-8H3.
What are the key properties of tert-butyl N-benzyl-N-[4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutyl]carbamate?
tert-butyl N-benzyl-N-[4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutyl]carbamate has a molecular weight of 409.64 g/mol, XLogP of 5.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-benzyl-N-[4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutyl]carbamate is sourced from PubChem (CID 11682975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).